! Pwscf input file created with ciftopw.py 
! Compound: LiCr(SiO3)2
&control
         calculation     = 'bands'
         prefix          = 'LiCrxSiO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.1456477820826763
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8196414624123861
         celldm(4)       =            0.2568278740803335
         celldm(5)       =            0.2568278740803335
         celldm(6)       =            0.1085369823156294
         nat             =       20
         ntyp            =        4
         ecutwfc         =      103.00000000
         ecutrho         =      412.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
245
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571       0.01428571       0.00000000 1.0 
      0.02857143       0.02857143       0.00000000 1.0 
      0.04285714       0.04285714       0.00000000 1.0 
      0.05714286       0.05714286       0.00000000 1.0 
      0.07142857       0.07142857       0.00000000 1.0 
      0.08571429       0.08571429       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.11428571       0.11428571       0.00000000 1.0 
      0.12857143       0.12857143       0.00000000 1.0 
      0.14285714       0.14285714       0.00000000 1.0 
      0.15714286       0.15714286       0.00000000 1.0 
      0.17142857       0.17142857       0.00000000 1.0 
      0.18571429       0.18571429       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.21428571       0.21428571       0.00000000 1.0 
      0.22857143       0.22857143       0.00000000 1.0 
      0.24285714       0.24285714       0.00000000 1.0 
      0.25714286       0.25714286       0.00000000 1.0 
      0.27142857       0.27142857       0.00000000 1.0 
      0.28571429       0.28571429       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.31428571       0.31428571       0.00000000 1.0 
      0.32857143       0.32857143       0.00000000 1.0 
      0.34285714       0.34285714       0.00000000 1.0 
      0.35714286       0.35714286       0.00000000 1.0 
      0.37142857       0.37142857       0.00000000 1.0 
      0.38571429       0.38571429       0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.41428571       0.41428571       0.00000000 1.0 
      0.42857143       0.42857143       0.00000000 1.0 
      0.44285714       0.44285714       0.00000000 1.0 
      0.45714286       0.45714286       0.00000000 1.0 
      0.47142857       0.47142857       0.00000000 1.0 
      0.48571429       0.48571429       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50525210       0.50525210       0.01676156 1.0 
      0.51050419       0.51050419       0.03352312 1.0 
      0.51575629       0.51575629       0.05028468 1.0 
      0.52100838       0.52100838       0.06704624 1.0 
      0.52626048       0.52626048       0.08380780 1.0 
      0.53151258       0.53151258       0.10056936 1.0 
      0.53676467       0.53676467       0.11733092 1.0 
      0.54201677       0.54201677       0.13409248 1.0 
      0.54726887       0.54726887       0.15085404 1.0 
      0.55252096       0.55252096       0.16761560 1.0 
      0.55777306       0.55777306       0.18437716 1.0 
      0.56302515       0.56302515       0.20113872 1.0 
      0.56827725       0.56827725       0.21790028 1.0 
      0.57352935       0.57352935       0.23466184 1.0 
      0.57878144       0.57878144       0.25142340 1.0 
      0.58403354       0.58403354       0.26818496 1.0 
      0.58928564       0.58928564       0.28494652 1.0 
      0.59453773       0.59453773       0.30170808 1.0 
      0.59978983       0.59978983       0.31846964 1.0 
      0.60504192       0.60504192       0.33523120 1.0 
      0.61029402       0.61029402       0.35199276 1.0 
      0.61029402       0.61029402       0.35199276 1.0 
      0.60294109       0.60294109       0.36185991 1.0 
      0.59558815       0.59558815       0.37172706 1.0 
      0.58823522       0.58823522       0.38159421 1.0 
      0.58088228       0.58088228       0.39146136 1.0 
      0.57352935       0.57352935       0.40132851 1.0 
      0.56617641       0.56617641       0.41119566 1.0 
      0.55882348       0.55882348       0.42106281 1.0 
      0.55147054       0.55147054       0.43092996 1.0 
      0.54411761       0.54411761       0.44079710 1.0 
      0.53676467       0.53676467       0.45066425 1.0 
      0.52941174       0.52941174       0.46053140 1.0 
      0.52205880       0.52205880       0.47039855 1.0 
      0.51470587       0.51470587       0.48026570 1.0 
      0.50735293       0.50735293       0.49013285 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51267757       0.48732243       0.50000000 1.0 
      0.52535514       0.47464486       0.50000000 1.0 
      0.53803271       0.46196729       0.50000000 1.0 
      0.55071028       0.44928972       0.50000000 1.0 
      0.56338784       0.43661216       0.50000000 1.0 
      0.57606541       0.42393459       0.50000000 1.0 
      0.58874298       0.41125702       0.50000000 1.0 
      0.60142055       0.39857945       0.50000000 1.0 
      0.61409812       0.38590188       0.50000000 1.0 
      0.62677569       0.37322431       0.50000000 1.0 
      0.63945326       0.36054674       0.50000000 1.0 
      0.65213083       0.34786917       0.50000000 1.0 
      0.66480840       0.33519160       0.50000000 1.0 
      0.33519160      -0.33519160       0.50000000 1.0 
      0.32178394      -0.32178394       0.50000000 1.0 
      0.30837628      -0.30837628       0.50000000 1.0 
      0.29496861      -0.29496861       0.50000000 1.0 
      0.28156095      -0.28156095       0.50000000 1.0 
      0.26815328      -0.26815328       0.50000000 1.0 
      0.25474562      -0.25474562       0.50000000 1.0 
      0.24133795      -0.24133795       0.50000000 1.0 
      0.22793029      -0.22793029       0.50000000 1.0 
      0.21452263      -0.21452263       0.50000000 1.0 
      0.20111496      -0.20111496       0.50000000 1.0 
      0.18770730      -0.18770730       0.50000000 1.0 
      0.17429963      -0.17429963       0.50000000 1.0 
      0.16089197      -0.16089197       0.50000000 1.0 
      0.14748431      -0.14748431       0.50000000 1.0 
      0.13407664      -0.13407664       0.50000000 1.0 
      0.12066898      -0.12066898       0.50000000 1.0 
      0.10726131      -0.10726131       0.50000000 1.0 
      0.09385365      -0.09385365       0.50000000 1.0 
      0.08044598      -0.08044598       0.50000000 1.0 
      0.06703832      -0.06703832       0.50000000 1.0 
      0.05363066      -0.05363066       0.50000000 1.0 
      0.04022299      -0.04022299       0.50000000 1.0 
      0.02681533      -0.02681533       0.50000000 1.0 
      0.01340766      -0.01340766       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01498869       0.01498869       0.50569259 1.0 
      0.02997738       0.02997738       0.51138517 1.0 
      0.04496607       0.04496607       0.51707776 1.0 
      0.05995477       0.05995477       0.52277034 1.0 
      0.07494346       0.07494346       0.52846293 1.0 
      0.08993215       0.08993215       0.53415552 1.0 
      0.10492084       0.10492084       0.53984810 1.0 
      0.11990953       0.11990953       0.54554069 1.0 
      0.13489822       0.13489822       0.55123327 1.0 
      0.14988691       0.14988691       0.55692586 1.0 
      0.16487561       0.16487561       0.56261845 1.0 
      0.17986430       0.17986430       0.56831103 1.0 
      0.19485299       0.19485299       0.57400362 1.0 
      0.20984168       0.20984168       0.57969621 1.0 
      0.22483037       0.22483037       0.58538879 1.0 
      0.23981906       0.23981906       0.59108138 1.0 
      0.25480776       0.25480776       0.59677396 1.0 
      0.26979645       0.26979645       0.60246655 1.0 
      0.28478514       0.28478514       0.60815914 1.0 
      0.29977383       0.29977383       0.61385172 1.0 
      0.31476252       0.31476252       0.61954431 1.0 
      0.32975121       0.32975121       0.62523689 1.0 
      0.34473990       0.34473990       0.63092948 1.0 
      0.35972860       0.35972860       0.63662207 1.0 
      0.37471729       0.37471729       0.64231465 1.0 
      0.38970598       0.38970598       0.64800724 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51089897       0.48910103       0.00000000 1.0 
      0.52179794       0.47820206       0.00000000 1.0 
      0.47820206      -0.47820206       0.00000000 1.0 
      0.46491867      -0.46491867       0.00000000 1.0 
      0.45163528      -0.45163528       0.00000000 1.0 
      0.43835189      -0.43835189       0.00000000 1.0 
      0.42506850      -0.42506850       0.00000000 1.0 
      0.41178511      -0.41178511       0.00000000 1.0 
      0.39850172      -0.39850172       0.00000000 1.0 
      0.38521833      -0.38521833       0.00000000 1.0 
      0.37193494      -0.37193494       0.00000000 1.0 
      0.35865155      -0.35865155       0.00000000 1.0 
      0.34536816      -0.34536816       0.00000000 1.0 
      0.33208476      -0.33208476       0.00000000 1.0 
      0.31880137      -0.31880137       0.00000000 1.0 
      0.30551798      -0.30551798       0.00000000 1.0 
      0.29223459      -0.29223459       0.00000000 1.0 
      0.27895120      -0.27895120       0.00000000 1.0 
      0.26566781      -0.26566781       0.00000000 1.0 
      0.25238442      -0.25238442       0.00000000 1.0 
      0.23910103      -0.23910103       0.00000000 1.0 
      0.22581764      -0.22581764       0.00000000 1.0 
      0.21253425      -0.21253425       0.00000000 1.0 
      0.19925086      -0.19925086       0.00000000 1.0 
      0.18596747      -0.18596747       0.00000000 1.0 
      0.17268408      -0.17268408       0.00000000 1.0 
      0.15940069      -0.15940069       0.00000000 1.0 
      0.14611730      -0.14611730       0.00000000 1.0 
      0.13283391      -0.13283391       0.00000000 1.0 
      0.11955052      -0.11955052       0.00000000 1.0 
      0.10626712      -0.10626712       0.00000000 1.0 
      0.09298373      -0.09298373       0.00000000 1.0 
      0.07970034      -0.07970034       0.00000000 1.0 
      0.06641695      -0.06641695       0.00000000 1.0 
      0.05313356      -0.05313356       0.00000000 1.0 
      0.03985017      -0.03985017       0.00000000 1.0 
      0.02656678      -0.02656678       0.00000000 1.0 
      0.01328339      -0.01328339       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01923077       0.00000000       0.00000000 1.0 
      0.03846154       0.00000000       0.00000000 1.0 
      0.05769231       0.00000000       0.00000000 1.0 
      0.07692308       0.00000000       0.00000000 1.0 
      0.09615385       0.00000000       0.00000000 1.0 
      0.11538462       0.00000000       0.00000000 1.0 
      0.13461538       0.00000000       0.00000000 1.0 
      0.15384615       0.00000000       0.00000000 1.0 
      0.17307692       0.00000000       0.00000000 1.0 
      0.19230769       0.00000000       0.00000000 1.0 
      0.21153846       0.00000000       0.00000000 1.0 
      0.23076923       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26923077       0.00000000       0.00000000 1.0 
      0.28846154       0.00000000       0.00000000 1.0 
      0.30769231       0.00000000       0.00000000 1.0 
      0.32692308      -0.00000000       0.00000000 1.0 
      0.34615385       0.00000000       0.00000000 1.0 
      0.36538462       0.00000000       0.00000000 1.0 
      0.38461538       0.00000000       0.00000000 1.0 
      0.40384615       0.00000000       0.00000000 1.0 
      0.42307692       0.00000000       0.00000000 1.0 
      0.44230769       0.00000000       0.00000000 1.0 
      0.46153846       0.00000000       0.00000000 1.0 
      0.48076923       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48611111      -0.00000000       0.48611111 1.0 
      0.47222222       0.00000000       0.47222222 1.0 
      0.45833333       0.00000000       0.45833333 1.0 
      0.44444444       0.00000000       0.44444444 1.0 
      0.43055556       0.00000000       0.43055556 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.40277778       0.00000000       0.40277778 1.0 
      0.38888889       0.00000000       0.38888889 1.0 
      0.37500000       0.00000000       0.37500000 1.0 
      0.36111111      -0.00000000       0.36111111 1.0 
      0.34722222       0.00000000       0.34722222 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31944444       0.00000000       0.31944444 1.0 
      0.30555556       0.00000000       0.30555556 1.0 
      0.29166667       0.00000000       0.29166667 1.0 
      0.27777778       0.00000000       0.27777778 1.0 
      0.26388889       0.00000000       0.26388889 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23611111       0.00000000       0.23611111 1.0 
      0.22222222       0.00000000       0.22222222 1.0 
      0.20833333      -0.00000000       0.20833333 1.0 
      0.19444444       0.00000000       0.19444444 1.0 
      0.18055556       0.00000000       0.18055556 1.0 
      0.16666667      -0.00000000       0.16666667 1.0 
      0.15277778      -0.00000000       0.15277778 1.0 
      0.13888889       0.00000000       0.13888889 1.0 
      0.12500000       0.00000000       0.12500000 1.0 
      0.11111111       0.00000000       0.11111111 1.0 
      0.09722222       0.00000000       0.09722222 1.0 
      0.08333333      -0.00000000       0.08333333 1.0 
      0.06944444       0.00000000       0.06944444 1.0 
      0.05555556       0.00000000       0.05555556 1.0 
      0.04166667      -0.00000000       0.04166667 1.0 
      0.02777778       0.00000000       0.02777778 1.0 
      0.01388889       0.00000000       0.01388889 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

